2-[2-[[4-[5-[(3,4-dimethoxyphenyl)carbamoyl]furan-2-yl]-3-(4-nitrophenyl)butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[[4-[5-[(3,4-dimethoxyphenyl)carbamoyl]furan-2-yl]-3-(4-nitrophenyl)butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[3-[5-[(3,4-dimethoxyphenyl)carbamoyl]-2-furyl]-1-methyl-2-(4-nitrophenyl)propyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[4-[5-[(3,4-dimethoxyanilino)-oxomethyl]-2-furanyl]-3-(4-nitrophenyl)butan-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[4-[5-[(3,4-dimethoxyphenyl)carbamoyl]furan-2-yl]-3-(4-nitrophenyl)butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[3-[5-[(3,4-dimethoxyphenyl)carbamoyl]-2-furyl]-1-methyl-2-(4-nitrophenyl)propyl]-(2-naphthylmethyl)amino]-2-keto-ethyl]succinic acid Formula: C40H39N3O11 MolecularWeight: 737.75116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(CC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C40H39N3O11/c1-24(42(37(44)19-29(40(48)49)20-38(45)46)23-25-8-9-26-6-4-5-7-28(26)18-25)33(27-10-13-31(14-11-27)43(50)51)22-32-15-17-35(54-32)39(47)41-30-12-16-34(52-2)36(21-30)53-3/h4-18,21,24,29,33H,19-20,22-23H2,1-3H3,(H,41,47)(H,45,46)(H,48,49)